3-chloranyl-4-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzaldehyde

Systemtic Name: 3-chloranyl-4-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzaldehyde Openeye Name: 3-chloro-4-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzaldehyde CAS Name: 3-chloro-4-[4-[[2-(4-fluorophenyl)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3-chloro-4-[4-[2-(4-fluorophenyl)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzaldehyde Traditional Name: 3-chloro-4-[4-[2-(4-fluorophenyl)-5-mesyl-benzoyl]piperazino]benzaldehyde Formula: C25H22ClFN2O4S MolecularWeight: 500.969583

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C=O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C=O)Cl

InChI

InChI=1S/C25H22ClFN2O4S/c1-34(32,33)20-7-8-21(18-3-5-19(27)6-4-18)22(15-20)25(31)29-12-10-28(11-13-29)24-9-2-17(16-30)14-23(24)26/h2-9,14-16H,10-13H2,1H3